2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide

C11H23N3O2S2 — CID 61122684

IUPAC2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide
SMILESCCC(C)(NS(=O)(=O)N1CCC(C)CC1)C(N)=S
InChIInChI=1S/C11H23N3O2S2/c1-4-11(3,10(12)17)13-18(15,16)14-7-5-9(2)6-8-14/h9,13H,4-8H2,1-3H3,(H2,12,17)
InChIKeyBSJCNTCSFXBCMU-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide

2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide (PubChem CID 61122684) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide.

Molecular Properties

Compound Name2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide
PubChem CID61122684
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide
SMILESCCC(C)(NS(=O)(=O)N1CCC(C)CC1)C(N)=S
InChIInChI=1S/C11H23N3O2S2/c1-4-11(3,10(12)17)13-18(15,16)14-7-5-9(2)6-8-14/h9,13H,4-8H2,1-3H3,(H2,12,17)
InChIKeyBSJCNTCSFXBCMU-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
3-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
3-[Methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 43210887
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987328
3-[Ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987376
3-[Ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987377
3-[Ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54988018
2-Methyl-3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 54991773
2-Methyl-3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991774
2-Methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
2-Methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
The IUPAC name of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide (CID 61122684) is 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide.
What is the SMILES notation for 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
The canonical SMILES for 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide is CCC(C)(NS(=O)(=O)N1CCC(C)CC1)C(N)=S.
What is the InChIKey of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
The InChIKey is BSJCNTCSFXBCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-4-11(3,10(12)17)13-18(15,16)14-7-5-9(2)6-8-14/h9,13H,4-8H2,1-3H3,(H2,12,17).
What are the key properties of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide has a molecular weight of 293.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide is sourced from PubChem (CID 61122684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).